Fosamprenavir Calcium Salt - 10mM in DMSO , Human immunodeficiency virus type 1 protease inhibitor, CAS No.226700-81-8, Human immunodeficiency virus type 1 protease inhibitor

CAS: 226700-81-8 Cat. No.: F422717 Molecular Weight: 623.67 EC Number: 607-123-4 PubChem CID: 131535

GRADE & PURITY 10mM in DMSO

Synonyms

Fosamprenavir calcium|226700-81-8|Fosamprenavir Calcium Salt|Lexiva|Telzir|Amprenavir phosphate calcium|Fosamprenavir (Calcium Salt)|Fosamprenavir calcium [USAN]|GW433908G|UNII-ID1GU2627N|GW 433908G|GW-433908G|ID1GU2627N|DTXSID0046777|DTXCID8026777|((3S)O

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Fosamprenavir Calcium Salt is a HIV protease inhibitor that is water soluble prodrug of amprenavir.

Specifications

Synonyms

Fosamprenavir calcium | 226700-81-8 | Fosamprenavir Calcium Salt | Lexiva | Telzir | Amprenavir phosphate calcium | Fosamprenavir (Calcium Salt) | Fosamprenavir calcium [USAN] | GW433908G | UNII-ID1GU2627N | GW 433908G | GW-433908G | ID1GU2627N | DTXSID0046777 | DTXCID8026777 | ((3S)O

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Fosamprenavir calcium is an HIV protease inhibitor anti-retroviral. It is a water soluble phosphate ester prodrug of amprenavir, the active agent.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Human immunodeficiency virus type 1 protease inhibitor

Names and Identifiers

• Canonical Smiles: CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]
• IUPAC Name: calcium;[(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutan-2-yl] phosphate
• InChIKey: PMDQGYMGQKTCSX-HQROKSDRSA-L
• INCHI: 1S/C25H36N3O9PS.Ca/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);/q;+2/p-2/t21-,23-,24+;/m0./s1
• Isomeric SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]
• RTECS: EY8573300
• PubChem CID: 131535
• Molecular Weight: 623.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Phenylbutylamines Amphetamines and derivatives Benzenesulfonyl compounds Phosphoethanolamines Aniline and substituted anilines Alkyl phosphates Organosulfonamides Tetrahydrofurans Aminosulfonyl compounds Carbamate esters Organic carbonic acids and derivatives Dialkyl ethers Oxacyclic compounds Organic calcium salts Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonyl group - Phosphoethanolamine - Aniline or substituted anilines - Organic phosphoric acid derivative - Phosphoric acid ester - Organosulfonic acid amide - Alkyl phosphate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Tetrahydrofuran - Sulfonyl - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic calcium salt - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary amine - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D1.61 (Predicted)
• Melt Point(°C): >257° C (dec.)
• Molecular Weight: 623.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 623.138 Da
• Monoisotopic Mass: 623.138 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 901.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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